4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide

C13H16F3NO2 — CID 11231178

IUPAC4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide
SMILESCCC(O)(CCC(N)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-2-12(19,8-7-11(17)18)9-3-5-10(6-4-9)13(14,15)16/h3-6,19H,2,7-8H2,1H3,(H2,17,18)
InChIKeyOLKUOMYZYQHUMZ-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.57
Rot. Bonds5

About 4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide

4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide (PubChem CID 11231178) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide.

Molecular Properties

Compound Name4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide
PubChem CID11231178
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide
SMILESCCC(O)(CCC(N)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-2-12(19,8-7-11(17)18)9-3-5-10(6-4-9)13(14,15)16/h3-6,19H,2,7-8H2,1H3,(H2,17,18)
InChIKeyOLKUOMYZYQHUMZ-UHFFFAOYSA-N
XLogP2.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Hydroxy-2-phenylnonanamide
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2-Hydroxy-2-phenylundecanamide
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N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide?
The IUPAC name of 4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide (CID 11231178) is 4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide.
What is the SMILES notation for 4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide?
The canonical SMILES for 4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide is CCC(O)(CCC(N)=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide?
The InChIKey is OLKUOMYZYQHUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-2-12(19,8-7-11(17)18)9-3-5-10(6-4-9)13(14,15)16/h3-6,19H,2,7-8H2,1H3,(H2,17,18).
What are the key properties of 4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide?
4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide has a molecular weight of 275.27 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[4-(trifluoromethyl)phenyl]hexanamide is sourced from PubChem (CID 11231178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).